ICODE-ADC/lammps
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Merge branch 'master' into multi_epcc

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This commit is contained in:
Joel Clemmer
2021-04-07 16:34:01 -06:00
parent d9d5d3a36a 6569c2e434
commit d54384dd91
1932 changed files with 164955 additions and 123175 deletions
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5
src/neighbor.cpp
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@ -456,7 +456,7 @@ void Neighbor::init()
// rRESPA cutoffs
int respa = 0;
if (update->whichflag == 1 && strstr(update->integrate_style,"respa")) {
if (update->whichflag == 1 && utils::strmatch(update->integrate_style,"^respa")) {
if (((Respa *) update->integrate)->level_inner >= 0) respa = 1;
if (((Respa *) update->integrate)->level_middle >= 0) respa = 2;
}
@ -1616,7 +1616,8 @@ void Neighbor::print_pairwise_info()
rq = requests[i];
if (rq->pair) {
char *pname = force->pair_match_ptr((Pair *) rq->requestor);
out += fmt::format(" ({}) pair {}",i+1,pname);
if (pname) out += fmt::format(" ({}) pair {}",i+1,pname);
else out += fmt::format(" ({}) pair (none)",i+1);
} else if (rq->fix) {
out += fmt::format(" ({}) fix {}",i+1,((Fix *) rq->requestor)->style);
} else if (rq->compute) {